ZK824859 - Moligand™, ≥98% , CAS No.2254001-81-3

CAS: 2254001-81-3 Cat. No.: Z412413 Formula: C₂₂H₂₀F₂N₂O₄ Peso molecolare: 414.40

GRADE & PURITY Moligand™, ≥98%

Synonyms

Butanoic acid,2-​[[6-​[[3'-​(aminomethyl)​[1,​1'-​biphenyl]​-​3-​yl]​oxy]​-​3,​5-​difluoro-​2-​pyridinyl]​oxy]​-​,(2R)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

ZK824190 is a selective urokinase plasminogen activator (uPA) inhibitor as a potential treatment for multiple sclerosis. IC50s of 237, 1600 and 1850 nM for uPA, tPA, and Plasmin, respectively.

Specifications

Sinonimi

Butanoic acid,2-​[[6-​[[3'-​(aminomethyl)​[1,​1'-​biphenyl]​-​3-​yl]​oxy]​-​3,​5-​difluoro-​2-​pyridinyl]​oxy]​-​,(2R)​-

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

ZK824859 is a potent, selective inhibitor of urokinase plasminogen activator (uPA) with IC50 of 79\u202fnM, 1580\u202fnM and 1330\u202fnM for human uPA, tPA, and plasmin, respectively.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCC(C(=O)O)OC1=C(C=C(C(=N1)OC2=CC(=CC(=C2)C3=CC=CC(=C3)CN)C)F)F

IUPAC Name

(2R)-2-[6-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-3,5-difluoropyridin-2-yl]oxybutanoic acid

InChIKey

CVNXUNVHFJANHX-HXUWFJFHSA-N

INCHI

1S/C23H22F2N2O4/c1-3-20(23(28)29)31-22-19(25)11-18(24)21(27-22)30-17-8-13(2)7-16(10-17)15-6-4-5-14(9-15)12-26/h4-11,20H,3,12,26H2,1-2H3,(H,28,29)/t20-/m1/s1

Isomeri SMILES

CC[C@H](C(=O)O)OC1=C(C=C(C(=N1)OC2=CC(=CC(=C2)C3=CC=CC(=C3)CN)C)F)F

CAS alternativo

2629177-12-2

Peso molecolare

414.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Diarylethers Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Polyhalopyridines Toluenes Alkyl aryl ethers Aralkylamines Aryl fluorides Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Diaryl ether - Phenoxy compound - Phenol ether - Phenylmethylamine - Benzylamine - Polyhalopyridine - Alkyl aryl ether - Toluene - Aralkylamine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

PLAU Tchem Urokinase-type plasminogen activator (1 Activities)

Discover Target: PLAU

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLG Tclin Plasminogen (2339 Activities)

Discover Target: PLG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

Discover Target: PLAU

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 86 mg/mL (207.52 mM); Ethanol: 86 mg/mL (207.52 mM); Water: Insoluble
• Sensibilità: Moisture sensitive
• Peso molecolare: 428.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 428.155 Da
• Monoisotopic Mass: 428.155 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 584.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1